Benzene

Benzene

SCHEMBL9407301

CC(=O)OOc1ccccc1.c1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
ALDH1A1 P00352 5/20 0.43
MAPT P10636 2/20 0.42
HSP90AA1 P07900 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.41
CYP3A4 P08684 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
LMNA P02545 2/20 0.41
F2 P00734 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL247575 1.00 ELANE (0.45) ELANEALDH1A1MAPTHSP90AA1GAA
SCHEMBL11245363 0.98 ELANE (0.44) ELANEALDH1A1MAPTHSP90AA1GAA
Water SCHEMBL27442688 0.98 ELANE (0.44) ELANEALDH1A1MAPTHSP90AA1GAA
Ammonia Solution, Strong SCHEMBL11121327 0.98 ELANE (0.44) ELANEALDH1A1MAPTHSP90AA1GAA
SCHEMBL11508266 0.98 ELANE (0.44) ELANEALDH1A1MAPTHSP90AA1GAA
Ethylene Glycol SCHEMBL11232956 0.92 ALDH1A1 (0.42) ELANEALDH1A1MAPTHSP90AA1GAA
Ethylene Glycol SCHEMBL12760857 0.88 ALDH1A1 (0.40) ELANEALDH1A1MAPTHSP90AA1GAA
SCHEMBL27548388 0.88 LMNA (0.42) ALDH1A1CYP3A4MTNR1AMTNR1BLMNA
SCHEMBL13329000 0.87 MAPT (0.50) ELANEALDH1A1MAPTGAACYP3A4
SCHEMBL26126123 0.84 ELANE (0.70) ELANEALDH1A1MAPTGAAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5298327-A Transparent,solid, flexible, impurity-free thermoset polymer; communications LUMENYTE INTERNATIONAL CORPORATION (US) 1994-03-29 US disclosed
US-5225166-A Polymerization reactor LUMENYTE INTERNATIONAL CORPORATION (US) 1993-07-06 US disclosed
US-5122580-A Polymerizing a mixture of unsaturated monomers in a tube by heating progressively from one end to the other LUMENYTE INTERNATIONAL CORPORATION (US) 1992-06-16 US disclosed